N-[2-[(6,8-dimethyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: N-[2-[(6,8-dimethyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-[(6,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[(6,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-[(6,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[(4-keto-6,8-dimethyl-1H-quinolin-2-yl)methylthio]-1,3-benzothiazol-6-yl]propionamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC(=O)C4=CC(=CC(=C4N3)C)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC(=O)C4=CC(=CC(=C4N3)C)C

InChI

InChI=1S/C22H21N3O2S2/c1-4-20(27)23-14-5-6-17-19(10-14)29-22(25-17)28-11-15-9-18(26)16-8-12(2)7-13(3)21(16)24-15/h5-10H,4,11H2,1-3H3,(H,23,27)(H,24,26)